methyl 2-(propanoylamino)-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate

Systemtic Name: methyl 2-(propanoylamino)-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: methyl 6-isopropyl-2-(propanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 2-(1-oxopropylamino)-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(propanoylamino)-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 6-isopropyl-2-propionamido-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid methyl ester Formula: C15H23N2O3S+ MolecularWeight: 311.41972

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C2=C(S1)C[NH+](CC2)C(C)C)C(=O)OC

Isomeric SMILES

CCC(=O)NC1=C(C2=C(S1)C[NH+](CC2)C(C)C)C(=O)OC

InChI

InChI=1S/C15H22N2O3S/c1-5-12(18)16-14-13(15(19)20-4)10-6-7-17(9(2)3)8-11(10)21-14/h9H,5-8H2,1-4H3,(H,16,18)/p+1